BDBM249365 US9464073, 002::US9884850, Compound 2

SMILES: ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1

InChI Key: InChIKey=VKMNSCQNZDAKRB-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 249365   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	671	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	7.4	25
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	7.4	25
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	671	n/a	n/a	n/a	n/a	7.4	25
ACETYLON PHARMACEUTICALS, INC. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM249365 (US9464073, 002 | US9884850, Compound 2) Show SMILES ONC(=O)c1cnc(NC2(CCOCC2)c2cc(F)ccc2F)nc1 Show InChI InChI=1S/C16H16F2N4O3/c17-11-1-2-13(18)12(7-11)16(3-5-25-6-4-16)21-15-19-8-10(9-20-15)14(23)22-24/h1-2,7-9,24H,3-6H2,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair